Effect of three-body forces on the lattice dynamics of noble metals

被引：11

作者：

Vyas, PR ^{[1
]}

Pandya, CV ^{[1
]}

Pandya, TC ^{[1
]}

Gohel, VB ^{[1
]}

机构：

[1] Gujarat Univ, Sch Sci, Dept Phys, Ahmedabad 380009, Gujarat, India

来源：

PRAMANA-JOURNAL OF PHYSICS | 2001年 / 56卷 / 04期

关键词：

noble metals; three-body forces; lattice dynamics;

D O I：

10.1007/s12043-001-0105-x

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A simple method to generate an effective electron-ion interaction pseudopotential From the energy wave number characteristic obtained by first principles calculations has been suggested. This effective potential has been used, in third order perturbation, to study the effect of three-body forces on the lattice dynamics of noble metals. It is found that three-body forces, in these metals, do play;In important role. The inclusion of such three-body forces appreciably improves the agreement between the experimental and theoretical phonon dispersion curves.

引用

页码：559 / 568

页数：10

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